USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 LYS NZ :NH3+ -111:sc= -1.19 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -1.63 K(o=-2.8,f=1.4) USER MOD Set 2.1: A 59 MET CE :methyl -121:sc= -13.3! (180deg=-10.2!) USER MOD Set 2.2: A 88 MET CE :methyl 151:sc= -14.7! (180deg=-14.6!) USER MOD Set 2.3: B 72 THR OG1 : rot 86:sc= -1.34! USER MOD Set 3.1: A 51 THR OG1 : rot 92:sc= -4.19! USER MOD Set 3.2: A 97 MET CE :methyl 162:sc= -9.13! (180deg=-6.01!) USER MOD Single : A 3 HIS : no HE2:sc= -6.9! C(o=-6.9!,f=-6.3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0404 K(o=-0.04,f=-2.5) USER MOD Single : A 23 SER OG : rot 180:sc= -0.862 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00488 USER MOD Single : A 31 SER OG : rot 73:sc= -3.17! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0.0141 (180deg=0.00215) USER MOD Single : A 38 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.016) USER MOD Single : A 39 THR OG1 : rot 180:sc= -4.72! USER MOD Single : A 43 SER OG : rot 180:sc= -0.254 USER MOD Single : A 44 THR OG1 : rot 37:sc= 0.00519 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.55 K(o=-2.5,f=-6.4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.518 USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= -1.51! (180deg=-1.55!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-3!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.17 X(o=-1.2,f=-1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 102 MET CE :methyl -149:sc= -0.326 (180deg=-1.34!) USER MOD Single : A 103 THR OG1 : rot 87:sc= 0.00379 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -48:sc= 1.71 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0976) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 2.940 -13.257 2.533 1.00 0.00 N ATOM 29 CA HIS A 3 2.762 -12.586 1.250 1.00 0.00 C ATOM 30 C HIS A 3 1.642 -13.238 0.449 1.00 0.00 C ATOM 31 O HIS A 3 1.032 -14.210 0.892 1.00 0.00 O ATOM 32 CB HIS A 3 4.063 -12.613 0.442 1.00 0.00 C ATOM 33 CG HIS A 3 5.298 -12.465 1.276 1.00 0.00 C ATOM 34 ND1 HIS A 3 6.121 -13.524 1.598 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.853 -11.372 1.854 1.00 0.00 C ATOM 36 CE1 HIS A 3 7.126 -13.090 2.338 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.987 -11.789 2.506 1.00 0.00 N ATOM 0 HA HIS A 3 2.491 -11.549 1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.118 -13.552 -0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.037 -11.812 -0.297 1.00 0.00 H new ATOM 0 HD1 HIS A 3 5.976 -14.492 1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.474 -10.362 1.810 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.925 -13.697 2.737 1.00 0.00 H new ATOM 46 N SER A 4 1.376 -12.682 -0.726 1.00 0.00 N ATOM 47 CA SER A 4 0.321 -13.182 -1.600 1.00 0.00 C ATOM 48 C SER A 4 -1.027 -13.138 -0.900 1.00 0.00 C ATOM 49 O SER A 4 -1.176 -13.581 0.238 1.00 0.00 O ATOM 50 CB SER A 4 0.608 -14.602 -2.081 1.00 0.00 C ATOM 51 OG SER A 4 1.973 -14.764 -2.422 1.00 0.00 O ATOM 0 H SER A 4 1.881 -11.878 -1.099 1.00 0.00 H new ATOM 0 HA SER A 4 0.293 -12.528 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.339 -15.314 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.015 -14.828 -2.947 1.00 0.00 H new ATOM 0 HG SER A 4 2.128 -15.683 -2.725 1.00 0.00 H new ATOM 57 N GLY A 5 -2.001 -12.592 -1.598 1.00 0.00 N ATOM 58 CA GLY A 5 -3.335 -12.474 -1.065 1.00 0.00 C ATOM 59 C GLY A 5 -4.271 -11.934 -2.111 1.00 0.00 C ATOM 60 O GLY A 5 -3.853 -11.678 -3.236 1.00 0.00 O ATOM 0 H GLY A 5 -1.889 -12.222 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.684 -13.448 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.330 -11.815 -0.197 1.00 0.00 H new ATOM 64 N ALA A 6 -5.530 -11.757 -1.765 1.00 0.00 N ATOM 65 CA ALA A 6 -6.486 -11.236 -2.723 1.00 0.00 C ATOM 66 C ALA A 6 -6.834 -9.792 -2.413 1.00 0.00 C ATOM 67 O ALA A 6 -6.979 -9.410 -1.256 1.00 0.00 O ATOM 68 CB ALA A 6 -7.732 -12.100 -2.767 1.00 0.00 C ATOM 0 H ALA A 6 -5.912 -11.962 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.024 -11.263 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.434 -11.689 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.461 -13.115 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.197 -12.118 -1.782 1.00 0.00 H new ATOM 74 N ALA A 7 -6.956 -8.997 -3.463 1.00 0.00 N ATOM 75 CA ALA A 7 -7.280 -7.587 -3.325 1.00 0.00 C ATOM 76 C ALA A 7 -7.993 -7.086 -4.566 1.00 0.00 C ATOM 77 O ALA A 7 -7.810 -7.629 -5.655 1.00 0.00 O ATOM 78 CB ALA A 7 -6.019 -6.777 -3.066 1.00 0.00 C ATOM 0 H ALA A 7 -6.834 -9.307 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.948 -7.464 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.278 -5.723 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.546 -7.124 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.328 -6.903 -3.900 1.00 0.00 H new ATOM 84 N ILE A 8 -8.815 -6.058 -4.408 1.00 0.00 N ATOM 85 CA ILE A 8 -9.546 -5.518 -5.538 1.00 0.00 C ATOM 86 C ILE A 8 -9.358 -4.015 -5.677 1.00 0.00 C ATOM 87 O ILE A 8 -9.314 -3.281 -4.690 1.00 0.00 O ATOM 88 CB ILE A 8 -11.045 -5.835 -5.439 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.259 -7.342 -5.413 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.784 -5.219 -6.615 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.448 -7.765 -4.581 1.00 0.00 C ATOM 0 H ILE A 8 -8.989 -5.589 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.135 -6.000 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.438 -5.410 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.393 -7.700 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.362 -7.822 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.847 -5.448 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.645 -4.138 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.392 -5.628 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.542 -8.851 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.307 -7.437 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.354 -7.313 -4.985 1.00 0.00 H new ATOM 103 N PHE A 9 -9.258 -3.574 -6.923 1.00 0.00 N ATOM 104 CA PHE A 9 -9.085 -2.162 -7.231 1.00 0.00 C ATOM 105 C PHE A 9 -9.813 -1.808 -8.526 1.00 0.00 C ATOM 106 O PHE A 9 -9.869 -2.614 -9.455 1.00 0.00 O ATOM 107 CB PHE A 9 -7.599 -1.822 -7.347 1.00 0.00 C ATOM 108 CG PHE A 9 -7.331 -0.349 -7.427 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.720 0.373 -8.540 1.00 0.00 C ATOM 110 CD2 PHE A 9 -6.693 0.313 -6.391 1.00 0.00 C ATOM 111 CE1 PHE A 9 -7.479 1.731 -8.623 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.448 1.671 -6.465 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.842 2.381 -7.583 1.00 0.00 C ATOM 0 H PHE A 9 -9.294 -4.180 -7.743 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.514 -1.574 -6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.071 -2.234 -6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.191 -2.307 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.219 -0.131 -9.355 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.384 -0.238 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.788 2.283 -9.498 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.950 2.176 -5.651 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.652 3.442 -7.644 1.00 0.00 H new ATOM 123 N GLU A 10 -10.381 -0.606 -8.577 1.00 0.00 N ATOM 124 CA GLU A 10 -11.120 -0.154 -9.754 1.00 0.00 C ATOM 125 C GLU A 10 -12.139 -1.199 -10.186 1.00 0.00 C ATOM 126 O GLU A 10 -12.367 -1.409 -11.377 1.00 0.00 O ATOM 127 CB GLU A 10 -10.170 0.161 -10.911 1.00 0.00 C ATOM 128 CG GLU A 10 -9.867 1.641 -11.043 1.00 0.00 C ATOM 129 CD GLU A 10 -8.664 1.915 -11.925 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.603 1.300 -11.690 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.784 2.746 -12.850 1.00 0.00 O ATOM 0 H GLU A 10 -10.344 0.073 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.649 0.760 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.237 -0.384 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.608 -0.199 -11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.738 2.151 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.690 2.061 -10.053 1.00 0.00 H new ATOM 138 N LYS A 11 -12.751 -1.850 -9.206 1.00 0.00 N ATOM 139 CA LYS A 11 -13.750 -2.874 -9.479 1.00 0.00 C ATOM 140 C LYS A 11 -13.129 -4.069 -10.197 1.00 0.00 C ATOM 141 O LYS A 11 -13.839 -4.883 -10.788 1.00 0.00 O ATOM 142 CB LYS A 11 -14.897 -2.298 -10.320 1.00 0.00 C ATOM 143 CG LYS A 11 -15.071 -0.790 -10.181 1.00 0.00 C ATOM 144 CD LYS A 11 -16.471 -0.352 -10.580 1.00 0.00 C ATOM 145 CE LYS A 11 -16.520 0.104 -12.029 1.00 0.00 C ATOM 146 NZ LYS A 11 -17.818 0.752 -12.364 1.00 0.00 N ATOM 0 H LYS A 11 -12.573 -1.687 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.147 -3.214 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.721 -2.538 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.827 -2.789 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.876 -0.494 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.337 -0.279 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.167 -1.178 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.798 0.460 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.706 0.804 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.362 -0.752 -12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.811 1.049 -13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.593 0.076 -12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.958 1.584 -11.756 1.00 0.00 H new ATOM 160 N VAL A 12 -11.803 -4.181 -10.135 1.00 0.00 N ATOM 161 CA VAL A 12 -11.105 -5.289 -10.771 1.00 0.00 C ATOM 162 C VAL A 12 -10.403 -6.130 -9.719 1.00 0.00 C ATOM 163 O VAL A 12 -9.580 -5.620 -8.960 1.00 0.00 O ATOM 164 CB VAL A 12 -10.069 -4.797 -11.801 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.585 -5.952 -12.664 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.655 -3.688 -12.662 1.00 0.00 C ATOM 0 H VAL A 12 -11.195 -3.519 -9.652 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.850 -5.888 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.213 -4.392 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.854 -5.586 -13.385 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.122 -6.710 -12.032 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.431 -6.389 -13.195 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.909 -3.354 -13.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.530 -4.063 -13.193 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.947 -2.851 -12.028 1.00 0.00 H new ATOM 176 N SER A 13 -10.742 -7.412 -9.658 1.00 0.00 N ATOM 177 CA SER A 13 -10.145 -8.300 -8.670 1.00 0.00 C ATOM 178 C SER A 13 -8.872 -8.950 -9.188 1.00 0.00 C ATOM 179 O SER A 13 -8.676 -9.109 -10.393 1.00 0.00 O ATOM 180 CB SER A 13 -11.136 -9.376 -8.235 1.00 0.00 C ATOM 181 OG SER A 13 -11.475 -10.228 -9.316 1.00 0.00 O ATOM 0 H SER A 13 -11.421 -7.857 -10.276 1.00 0.00 H new ATOM 0 HA SER A 13 -9.884 -7.686 -7.808 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.705 -9.965 -7.426 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.038 -8.906 -7.842 1.00 0.00 H new ATOM 0 HG SER A 13 -12.110 -10.909 -9.009 1.00 0.00 H new ATOM 187 N GLY A 14 -8.006 -9.306 -8.250 1.00 0.00 N ATOM 188 CA GLY A 14 -6.739 -9.923 -8.581 1.00 0.00 C ATOM 189 C GLY A 14 -6.028 -10.433 -7.347 1.00 0.00 C ATOM 190 O GLY A 14 -6.552 -10.327 -6.238 1.00 0.00 O ATOM 0 H GLY A 14 -8.163 -9.175 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.906 -10.749 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.105 -9.200 -9.094 1.00 0.00 H new ATOM 194 N ILE A 15 -4.833 -10.978 -7.527 1.00 0.00 N ATOM 195 CA ILE A 15 -4.065 -11.486 -6.402 1.00 0.00 C ATOM 196 C ILE A 15 -2.908 -10.545 -6.122 1.00 0.00 C ATOM 197 O ILE A 15 -2.189 -10.129 -7.029 1.00 0.00 O ATOM 198 CB ILE A 15 -3.511 -12.908 -6.650 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.487 -13.726 -7.500 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.239 -13.615 -5.323 1.00 0.00 C ATOM 201 CD1 ILE A 15 -4.199 -13.660 -8.984 1.00 0.00 C ATOM 0 H ILE A 15 -4.378 -11.079 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.740 -11.543 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.571 -12.819 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.453 -14.767 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.501 -13.369 -7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.850 -14.615 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.507 -13.045 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.166 -13.690 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.930 -14.263 -9.524 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.262 -12.625 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.198 -14.044 -9.178 1.00 0.00 H new ATOM 213 N ILE A 16 -2.769 -10.188 -4.858 1.00 0.00 N ATOM 214 CA ILE A 16 -1.743 -9.261 -4.420 1.00 0.00 C ATOM 215 C ILE A 16 -0.616 -10.010 -3.711 1.00 0.00 C ATOM 216 O ILE A 16 -0.837 -10.630 -2.674 1.00 0.00 O ATOM 217 CB ILE A 16 -2.362 -8.222 -3.462 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.302 -7.267 -2.918 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.104 -8.911 -2.323 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.890 -5.979 -2.387 1.00 0.00 C ATOM 0 H ILE A 16 -3.365 -10.533 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.330 -8.753 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.080 -7.632 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.747 -7.763 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.588 -7.036 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.532 -8.159 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.902 -9.531 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.409 -9.536 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.089 -5.340 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.422 -5.464 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.583 -6.203 -1.576 1.00 0.00 H new ATOM 232 N ALA A 17 0.591 -9.979 -4.279 1.00 0.00 N ATOM 233 CA ALA A 17 1.713 -10.696 -3.675 1.00 0.00 C ATOM 234 C ALA A 17 2.945 -9.818 -3.509 1.00 0.00 C ATOM 235 O ALA A 17 3.252 -8.994 -4.365 1.00 0.00 O ATOM 236 CB ALA A 17 2.054 -11.923 -4.505 1.00 0.00 C ATOM 0 H ALA A 17 0.814 -9.476 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 17 1.400 -11.002 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.891 -12.451 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.189 -12.584 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.327 -11.615 -5.514 1.00 0.00 H new ATOM 242 N ILE A 18 3.656 -10.021 -2.400 1.00 0.00 N ATOM 243 CA ILE A 18 4.870 -9.267 -2.110 1.00 0.00 C ATOM 244 C ILE A 18 6.103 -10.008 -2.618 1.00 0.00 C ATOM 245 O ILE A 18 6.163 -11.237 -2.583 1.00 0.00 O ATOM 246 CB ILE A 18 5.022 -9.006 -0.598 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.792 -8.274 -0.063 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.285 -8.203 -0.317 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.498 -8.574 1.388 1.00 0.00 C ATOM 0 H ILE A 18 3.408 -10.706 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 18 4.785 -8.310 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 18 5.107 -9.965 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.937 -7.200 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.926 -8.547 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.375 -8.029 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.155 -8.758 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.231 -7.246 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.612 -8.021 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.321 -9.643 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.348 -8.275 2.001 1.00 0.00 H new ATOM 261 N ASN A 19 7.081 -9.248 -3.093 1.00 0.00 N ATOM 262 CA ASN A 19 8.317 -9.816 -3.618 1.00 0.00 C ATOM 263 C ASN A 19 9.529 -9.220 -2.924 1.00 0.00 C ATOM 264 O ASN A 19 9.850 -8.045 -3.108 1.00 0.00 O ATOM 265 CB ASN A 19 8.412 -9.573 -5.126 1.00 0.00 C ATOM 266 CG ASN A 19 9.150 -10.685 -5.846 1.00 0.00 C ATOM 267 OD1 ASN A 19 10.056 -11.306 -5.290 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.765 -10.941 -7.090 1.00 0.00 N ATOM 0 H ASN A 19 7.042 -8.229 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 19 8.303 -10.889 -3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.408 -9.480 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.921 -8.626 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.225 -11.678 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.009 -10.401 -7.511 1.00 0.00 H new ATOM 275 N GLU A 20 10.208 -10.048 -2.138 1.00 0.00 N ATOM 276 CA GLU A 20 11.402 -9.619 -1.427 1.00 0.00 C ATOM 277 C GLU A 20 12.635 -10.234 -2.069 1.00 0.00 C ATOM 278 O GLU A 20 13.652 -10.461 -1.414 1.00 0.00 O ATOM 279 CB GLU A 20 11.321 -10.006 0.051 1.00 0.00 C ATOM 280 CG GLU A 20 12.153 -9.115 0.959 1.00 0.00 C ATOM 281 CD GLU A 20 11.950 -9.429 2.428 1.00 0.00 C ATOM 282 OE1 GLU A 20 12.456 -10.475 2.887 1.00 0.00 O ATOM 283 OE2 GLU A 20 11.286 -8.629 3.120 1.00 0.00 O ATOM 0 H GLU A 20 9.950 -11.022 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 20 11.474 -8.533 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.280 -9.967 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.652 -11.038 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.208 -9.231 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.894 -8.072 0.775 1.00 0.00 H new ATOM 290 N ASP A 21 12.525 -10.494 -3.363 1.00 0.00 N ATOM 291 CA ASP A 21 13.617 -11.078 -4.130 1.00 0.00 C ATOM 292 C ASP A 21 14.357 -9.998 -4.911 1.00 0.00 C ATOM 293 O ASP A 21 15.542 -10.137 -5.213 1.00 0.00 O ATOM 294 CB ASP A 21 13.084 -12.145 -5.088 1.00 0.00 C ATOM 295 CG ASP A 21 14.062 -13.286 -5.284 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.283 -13.025 -5.305 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.607 -14.442 -5.416 1.00 0.00 O ATOM 0 H ASP A 21 11.683 -10.308 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 21 14.313 -11.546 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.143 -12.538 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.866 -11.687 -6.053 1.00 0.00 H new ATOM 302 N VAL A 22 13.650 -8.917 -5.227 1.00 0.00 N ATOM 303 CA VAL A 22 14.246 -7.806 -5.965 1.00 0.00 C ATOM 304 C VAL A 22 14.692 -6.706 -5.007 1.00 0.00 C ATOM 305 O VAL A 22 14.320 -6.710 -3.834 1.00 0.00 O ATOM 306 CB VAL A 22 13.275 -7.205 -7.012 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.698 -7.597 -8.419 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.836 -7.630 -6.748 1.00 0.00 C ATOM 0 H VAL A 22 12.668 -8.786 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 22 15.108 -8.211 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 22 13.321 -6.120 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.004 -7.166 -9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.703 -7.224 -8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.690 -8.683 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.183 -7.190 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.763 -8.717 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.531 -7.288 -5.759 1.00 0.00 H new ATOM 318 N SER A 23 15.491 -5.764 -5.507 1.00 0.00 N ATOM 319 CA SER A 23 15.978 -4.665 -4.676 1.00 0.00 C ATOM 320 C SER A 23 14.825 -4.013 -3.916 1.00 0.00 C ATOM 321 O SER A 23 14.741 -4.128 -2.694 1.00 0.00 O ATOM 322 CB SER A 23 16.715 -3.626 -5.523 1.00 0.00 C ATOM 323 OG SER A 23 16.517 -3.858 -6.907 1.00 0.00 O ATOM 0 H SER A 23 15.812 -5.740 -6.475 1.00 0.00 H new ATOM 0 HA SER A 23 16.681 -5.076 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.363 -2.627 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.780 -3.657 -5.295 1.00 0.00 H new ATOM 0 HG SER A 23 16.998 -3.179 -7.425 1.00 0.00 H new ATOM 329 N PRO A 24 13.901 -3.335 -4.625 1.00 0.00 N ATOM 330 CA PRO A 24 12.754 -2.700 -3.991 1.00 0.00 C ATOM 331 C PRO A 24 11.670 -3.712 -3.677 1.00 0.00 C ATOM 332 O PRO A 24 10.750 -3.910 -4.470 1.00 0.00 O ATOM 333 CB PRO A 24 12.256 -1.725 -5.048 1.00 0.00 C ATOM 334 CG PRO A 24 12.617 -2.370 -6.343 1.00 0.00 C ATOM 335 CD PRO A 24 13.884 -3.153 -6.091 1.00 0.00 C ATOM 0 HA PRO A 24 13.015 -2.225 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.180 -1.567 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.730 -0.749 -4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.817 -3.026 -6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.771 -1.621 -7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.873 -4.110 -6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.764 -2.611 -6.437 1.00 0.00 H new ATOM 343 N ALA A 25 11.779 -4.353 -2.520 1.00 0.00 N ATOM 344 CA ALA A 25 10.792 -5.347 -2.111 1.00 0.00 C ATOM 345 C ALA A 25 9.402 -4.795 -2.335 1.00 0.00 C ATOM 346 O ALA A 25 8.898 -4.028 -1.527 1.00 0.00 O ATOM 347 CB ALA A 25 10.974 -5.739 -0.659 1.00 0.00 C ATOM 0 H ALA A 25 12.535 -4.205 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 25 10.932 -6.244 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.223 -6.481 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.969 -6.161 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.860 -4.858 -0.027 1.00 0.00 H new ATOM 353 N GLU A 26 8.817 -5.163 -3.459 1.00 0.00 N ATOM 354 CA GLU A 26 7.499 -4.675 -3.841 1.00 0.00 C ATOM 355 C GLU A 26 6.498 -5.810 -3.995 1.00 0.00 C ATOM 356 O GLU A 26 6.871 -6.979 -3.978 1.00 0.00 O ATOM 357 CB GLU A 26 7.608 -3.879 -5.136 1.00 0.00 C ATOM 358 CG GLU A 26 8.345 -4.611 -6.247 1.00 0.00 C ATOM 359 CD GLU A 26 7.565 -5.795 -6.784 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.360 -5.632 -7.068 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.160 -6.885 -6.921 1.00 0.00 O ATOM 0 H GLU A 26 9.236 -5.805 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 26 7.131 -4.029 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.606 -3.627 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.120 -2.939 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.549 -3.916 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.309 -4.956 -5.873 1.00 0.00 H new ATOM 368 N LEU A 27 5.222 -5.460 -4.142 1.00 0.00 N ATOM 369 CA LEU A 27 4.176 -6.450 -4.289 1.00 0.00 C ATOM 370 C LEU A 27 3.397 -6.224 -5.572 1.00 0.00 C ATOM 371 O LEU A 27 3.109 -5.086 -5.941 1.00 0.00 O ATOM 372 CB LEU A 27 3.230 -6.411 -3.086 1.00 0.00 C ATOM 373 CG LEU A 27 2.570 -5.056 -2.825 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.327 -4.890 -3.687 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.223 -4.909 -1.351 1.00 0.00 C ATOM 0 H LEU A 27 4.895 -4.494 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 27 4.644 -7.433 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.448 -7.156 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.786 -6.704 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 27 3.278 -4.271 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.872 -3.920 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.603 -4.951 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.614 -5.680 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.754 -3.939 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.534 -5.701 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.132 -4.981 -0.754 1.00 0.00 H new ATOM 387 N THR A 28 3.068 -7.309 -6.259 1.00 0.00 N ATOM 388 CA THR A 28 2.340 -7.219 -7.499 1.00 0.00 C ATOM 389 C THR A 28 0.899 -7.652 -7.349 1.00 0.00 C ATOM 390 O THR A 28 0.568 -8.521 -6.541 1.00 0.00 O ATOM 391 CB THR A 28 2.996 -8.067 -8.562 1.00 0.00 C ATOM 392 OG1 THR A 28 3.424 -9.310 -8.037 1.00 0.00 O ATOM 393 CG2 THR A 28 4.175 -7.403 -9.205 1.00 0.00 C ATOM 0 H THR A 28 3.298 -8.260 -5.971 1.00 0.00 H new ATOM 0 HA THR A 28 2.355 -6.170 -7.794 1.00 0.00 H new ATOM 0 HB THR A 28 2.227 -8.216 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.843 -9.838 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.599 -8.066 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.856 -6.474 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.928 -7.186 -8.448 1.00 0.00 H new ATOM 401 N TRP A 29 0.053 -7.041 -8.155 1.00 0.00 N ATOM 402 CA TRP A 29 -1.364 -7.350 -8.154 1.00 0.00 C ATOM 403 C TRP A 29 -1.799 -7.858 -9.525 1.00 0.00 C ATOM 404 O TRP A 29 -1.850 -7.098 -10.484 1.00 0.00 O ATOM 405 CB TRP A 29 -2.166 -6.111 -7.783 1.00 0.00 C ATOM 406 CG TRP A 29 -3.617 -6.400 -7.633 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.232 -6.923 -6.538 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.634 -6.201 -8.616 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.574 -7.055 -6.772 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.847 -6.619 -8.042 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.636 -5.707 -9.923 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.053 -6.560 -8.729 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.838 -5.650 -10.607 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.031 -6.074 -10.008 1.00 0.00 C ATOM 0 H TRP A 29 0.325 -6.321 -8.825 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.549 -8.131 -7.416 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.782 -5.699 -6.850 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.027 -5.349 -8.549 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.734 -7.194 -5.619 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.259 -7.419 -6.109 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.720 -5.377 -10.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.975 -6.886 -8.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.856 -5.273 -11.619 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.953 -6.016 -10.567 1.00 0.00 H new ATOM 425 N ARG A 30 -2.104 -9.146 -9.617 1.00 0.00 N ATOM 426 CA ARG A 30 -2.516 -9.737 -10.888 1.00 0.00 C ATOM 427 C ARG A 30 -4.004 -10.081 -10.894 1.00 0.00 C ATOM 428 O ARG A 30 -4.473 -10.862 -10.068 1.00 0.00 O ATOM 429 CB ARG A 30 -1.688 -10.992 -11.165 1.00 0.00 C ATOM 430 CG ARG A 30 -0.604 -10.791 -12.211 1.00 0.00 C ATOM 431 CD ARG A 30 -0.257 -12.095 -12.911 1.00 0.00 C ATOM 432 NE ARG A 30 0.294 -13.083 -11.986 1.00 0.00 N ATOM 433 CZ ARG A 30 1.537 -13.042 -11.511 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.360 -12.064 -11.871 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.958 -13.980 -10.674 1.00 0.00 N ATOM 0 H ARG A 30 -2.075 -9.799 -8.834 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.343 -9.001 -11.673 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.226 -11.324 -10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.354 -11.790 -11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.938 -10.059 -12.947 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.289 -10.382 -11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.151 -12.501 -13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.464 -11.900 -13.705 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.309 -13.849 -11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.041 -11.340 -12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.311 -12.037 -11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.330 -14.733 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.910 -13.949 -10.310 1.00 0.00 H new ATOM 449 N SER A 31 -4.740 -9.500 -11.840 1.00 0.00 N ATOM 450 CA SER A 31 -6.170 -9.755 -11.959 1.00 0.00 C ATOM 451 C SER A 31 -6.427 -11.158 -12.500 1.00 0.00 C ATOM 452 O SER A 31 -5.571 -11.744 -13.161 1.00 0.00 O ATOM 453 CB SER A 31 -6.819 -8.715 -12.873 1.00 0.00 C ATOM 454 OG SER A 31 -7.523 -7.742 -12.121 1.00 0.00 O ATOM 0 H SER A 31 -4.368 -8.851 -12.533 1.00 0.00 H new ATOM 0 HA SER A 31 -6.613 -9.681 -10.966 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.053 -8.228 -13.476 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.502 -9.209 -13.564 1.00 0.00 H new ATOM 0 HG SER A 31 -6.884 -7.148 -11.675 1.00 0.00 H new ATOM 460 N THR A 32 -7.611 -11.689 -12.216 1.00 0.00 N ATOM 461 CA THR A 32 -7.978 -13.023 -12.677 1.00 0.00 C ATOM 462 C THR A 32 -8.887 -12.947 -13.893 1.00 0.00 C ATOM 463 O THR A 32 -8.647 -13.599 -14.910 1.00 0.00 O ATOM 464 CB THR A 32 -8.669 -13.802 -11.556 1.00 0.00 C ATOM 465 OG1 THR A 32 -9.790 -13.088 -11.066 1.00 0.00 O ATOM 466 CG2 THR A 32 -7.760 -14.092 -10.381 1.00 0.00 C ATOM 0 H THR A 32 -8.332 -11.217 -11.670 1.00 0.00 H new ATOM 0 HA THR A 32 -7.064 -13.545 -12.962 1.00 0.00 H new ATOM 0 HB THR A 32 -8.970 -14.749 -12.005 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.219 -13.603 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.312 -14.646 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.909 -14.685 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.403 -13.154 -9.957 1.00 0.00 H new ATOM 505 N LYS A 36 -5.213 -8.404 -16.001 1.00 0.00 N ATOM 506 CA LYS A 36 -4.338 -7.252 -15.819 1.00 0.00 C ATOM 507 C LYS A 36 -3.398 -7.467 -14.639 1.00 0.00 C ATOM 508 O LYS A 36 -3.572 -8.400 -13.858 1.00 0.00 O ATOM 509 CB LYS A 36 -5.160 -5.977 -15.613 1.00 0.00 C ATOM 510 CG LYS A 36 -5.930 -5.941 -14.303 1.00 0.00 C ATOM 511 CD LYS A 36 -6.332 -4.522 -13.938 1.00 0.00 C ATOM 512 CE LYS A 36 -5.144 -3.718 -13.436 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.553 -2.677 -12.453 1.00 0.00 N ATOM 0 HA LYS A 36 -3.739 -7.139 -16.722 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.492 -5.116 -15.654 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.864 -5.874 -16.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.821 -6.564 -14.385 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.317 -6.364 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.764 -4.030 -14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.106 -4.548 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.421 -4.390 -12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.644 -3.243 -14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.778 -1.995 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.398 -2.181 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.769 -3.127 -11.541 1.00 0.00 H new ATOM 527 N VAL A 37 -2.402 -6.598 -14.515 1.00 0.00 N ATOM 528 CA VAL A 37 -1.438 -6.697 -13.427 1.00 0.00 C ATOM 529 C VAL A 37 -1.018 -5.320 -12.937 1.00 0.00 C ATOM 530 O VAL A 37 -0.780 -4.410 -13.732 1.00 0.00 O ATOM 531 CB VAL A 37 -0.169 -7.476 -13.834 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.495 -8.084 -12.608 1.00 0.00 C ATOM 533 CG2 VAL A 37 -0.494 -8.552 -14.862 1.00 0.00 C ATOM 0 H VAL A 37 -2.241 -5.819 -15.153 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.944 -7.240 -12.629 1.00 0.00 H new ATOM 0 HB VAL A 37 0.528 -6.776 -14.294 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.388 -8.630 -12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.773 -7.291 -11.914 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.200 -8.767 -12.119 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.418 -9.085 -15.131 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.213 -9.253 -14.440 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.919 -8.088 -15.752 1.00 0.00 H new ATOM 543 N HIS A 38 -0.911 -5.180 -11.624 1.00 0.00 N ATOM 544 CA HIS A 38 -0.498 -3.924 -11.022 1.00 0.00 C ATOM 545 C HIS A 38 0.600 -4.174 -9.999 1.00 0.00 C ATOM 546 O HIS A 38 0.357 -4.733 -8.932 1.00 0.00 O ATOM 547 CB HIS A 38 -1.689 -3.232 -10.357 1.00 0.00 C ATOM 548 CG HIS A 38 -1.634 -1.738 -10.438 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.779 -0.918 -9.338 1.00 0.00 N ATOM 550 CD2 HIS A 38 -1.449 -0.914 -11.497 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.686 0.344 -9.717 1.00 0.00 C ATOM 552 NE2 HIS A 38 -1.485 0.374 -11.021 1.00 0.00 N ATOM 0 H HIS A 38 -1.106 -5.924 -10.954 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.112 -3.272 -11.806 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.609 -3.580 -10.826 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.733 -3.530 -9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.301 -1.214 -12.524 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.762 1.205 -9.070 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.374 1.217 -11.584 1.00 0.00 H new ATOM 561 N THR A 39 1.805 -3.750 -10.336 1.00 0.00 N ATOM 562 CA THR A 39 2.958 -3.922 -9.459 1.00 0.00 C ATOM 563 C THR A 39 3.206 -2.653 -8.651 1.00 0.00 C ATOM 564 O THR A 39 3.677 -1.651 -9.187 1.00 0.00 O ATOM 565 CB THR A 39 4.200 -4.241 -10.296 1.00 0.00 C ATOM 566 OG1 THR A 39 4.015 -5.431 -11.039 1.00 0.00 O ATOM 567 CG2 THR A 39 5.460 -4.401 -9.470 1.00 0.00 C ATOM 0 H THR A 39 2.015 -3.280 -11.217 1.00 0.00 H new ATOM 0 HA THR A 39 2.755 -4.745 -8.774 1.00 0.00 H new ATOM 0 HB THR A 39 4.328 -3.382 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.819 -5.615 -11.568 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.300 -4.626 -10.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.660 -3.476 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.328 -5.216 -8.759 1.00 0.00 H new ATOM 575 N VAL A 40 2.903 -2.701 -7.361 1.00 0.00 N ATOM 576 CA VAL A 40 3.116 -1.551 -6.495 1.00 0.00 C ATOM 577 C VAL A 40 4.483 -1.640 -5.836 1.00 0.00 C ATOM 578 O VAL A 40 4.727 -2.528 -5.019 1.00 0.00 O ATOM 579 CB VAL A 40 2.037 -1.446 -5.402 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.192 -0.145 -4.629 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.644 -1.556 -6.009 1.00 0.00 C ATOM 0 H VAL A 40 2.511 -3.519 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 40 3.057 -0.660 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 40 2.166 -2.275 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.422 -0.085 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.176 -0.115 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.089 0.698 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.104 -1.479 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.496 -0.751 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.542 -2.517 -6.514 1.00 0.00 H new ATOM 591 N VAL A 41 5.382 -0.731 -6.199 1.00 0.00 N ATOM 592 CA VAL A 41 6.721 -0.749 -5.634 1.00 0.00 C ATOM 593 C VAL A 41 6.731 -0.257 -4.198 1.00 0.00 C ATOM 594 O VAL A 41 6.725 0.946 -3.938 1.00 0.00 O ATOM 595 CB VAL A 41 7.730 0.074 -6.453 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.148 -0.171 -5.942 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.622 -0.267 -7.932 1.00 0.00 C ATOM 0 H VAL A 41 5.209 0.016 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 41 7.031 -1.794 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 41 7.498 1.132 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.853 0.417 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.213 0.124 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.391 -1.229 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.343 0.325 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.830 -1.327 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.615 -0.043 -8.284 1.00 0.00 H new ATOM 607 N LEU A 42 6.770 -1.205 -3.271 1.00 0.00 N ATOM 608 CA LEU A 42 6.809 -0.895 -1.848 1.00 0.00 C ATOM 609 C LEU A 42 7.901 0.128 -1.551 1.00 0.00 C ATOM 610 O LEU A 42 7.835 0.852 -0.558 1.00 0.00 O ATOM 611 CB LEU A 42 7.078 -2.170 -1.060 1.00 0.00 C ATOM 612 CG LEU A 42 5.843 -3.018 -0.739 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.205 -4.498 -0.670 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.212 -2.561 0.568 1.00 0.00 C ATOM 0 H LEU A 42 6.775 -2.203 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 42 5.848 -0.474 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.782 -2.783 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.567 -1.902 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 42 5.117 -2.883 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.313 -5.081 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.611 -4.818 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.950 -4.654 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.336 -3.173 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.935 -2.666 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.913 -1.516 0.482 1.00 0.00 H new ATOM 626 N SER A 43 8.900 0.185 -2.428 1.00 0.00 N ATOM 627 CA SER A 43 10.002 1.124 -2.270 1.00 0.00 C ATOM 628 C SER A 43 9.464 2.540 -2.290 1.00 0.00 C ATOM 629 O SER A 43 9.721 3.336 -1.387 1.00 0.00 O ATOM 630 CB SER A 43 11.046 0.927 -3.374 1.00 0.00 C ATOM 631 OG SER A 43 10.976 1.956 -4.348 1.00 0.00 O ATOM 0 H SER A 43 8.967 -0.409 -3.255 1.00 0.00 H new ATOM 0 HA SER A 43 10.491 0.941 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.043 0.909 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.892 -0.040 -3.853 1.00 0.00 H new ATOM 0 HG SER A 43 11.656 1.801 -5.037 1.00 0.00 H new ATOM 637 N THR A 44 8.683 2.825 -3.314 1.00 0.00 N ATOM 638 CA THR A 44 8.059 4.121 -3.454 1.00 0.00 C ATOM 639 C THR A 44 7.004 4.291 -2.369 1.00 0.00 C ATOM 640 O THR A 44 6.645 5.411 -2.007 1.00 0.00 O ATOM 641 CB THR A 44 7.422 4.255 -4.836 1.00 0.00 C ATOM 642 OG1 THR A 44 6.961 2.999 -5.298 1.00 0.00 O ATOM 643 CG2 THR A 44 8.366 4.810 -5.879 1.00 0.00 C ATOM 0 H THR A 44 8.466 2.169 -4.065 1.00 0.00 H new ATOM 0 HA THR A 44 8.815 4.899 -3.348 1.00 0.00 H new ATOM 0 HB THR A 44 6.597 4.956 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.604 2.484 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.850 4.879 -6.837 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.702 5.802 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.228 4.150 -5.978 1.00 0.00 H new ATOM 651 N ILE A 45 6.519 3.163 -1.843 1.00 0.00 N ATOM 652 CA ILE A 45 5.514 3.194 -0.788 1.00 0.00 C ATOM 653 C ILE A 45 6.130 3.669 0.525 1.00 0.00 C ATOM 654 O ILE A 45 7.151 3.144 0.970 1.00 0.00 O ATOM 655 CB ILE A 45 4.860 1.814 -0.579 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.214 1.335 -1.880 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.827 1.879 0.539 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.436 0.047 -1.733 1.00 0.00 C ATOM 0 H ILE A 45 6.805 2.227 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 45 4.740 3.894 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 45 5.632 1.101 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.546 2.112 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.991 1.196 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.375 0.897 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.313 2.185 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.054 2.602 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.007 -0.231 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.103 -0.744 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.636 0.186 -1.006 1.00 0.00 H new ATOM 670 N ASP A 46 5.505 4.669 1.136 1.00 0.00 N ATOM 671 CA ASP A 46 5.993 5.223 2.394 1.00 0.00 C ATOM 672 C ASP A 46 4.998 4.990 3.531 1.00 0.00 C ATOM 673 O ASP A 46 5.298 5.270 4.692 1.00 0.00 O ATOM 674 CB ASP A 46 6.262 6.722 2.239 1.00 0.00 C ATOM 675 CG ASP A 46 7.549 7.151 2.916 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.622 7.066 4.160 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.484 7.572 2.203 1.00 0.00 O ATOM 0 H ASP A 46 4.658 5.113 0.780 1.00 0.00 H new ATOM 0 HA ASP A 46 6.921 4.710 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.311 6.972 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.428 7.284 2.660 1.00 0.00 H new ATOM 682 N LYS A 47 3.816 4.478 3.197 1.00 0.00 N ATOM 683 CA LYS A 47 2.792 4.215 4.200 1.00 0.00 C ATOM 684 C LYS A 47 1.932 3.018 3.804 1.00 0.00 C ATOM 685 O LYS A 47 1.763 2.724 2.621 1.00 0.00 O ATOM 686 CB LYS A 47 1.912 5.453 4.398 1.00 0.00 C ATOM 687 CG LYS A 47 1.981 6.028 5.804 1.00 0.00 C ATOM 688 CD LYS A 47 3.198 6.922 5.980 1.00 0.00 C ATOM 689 CE LYS A 47 2.879 8.131 6.845 1.00 0.00 C ATOM 690 NZ LYS A 47 3.304 7.930 8.258 1.00 0.00 N ATOM 0 H LYS A 47 3.546 4.238 2.243 1.00 0.00 H new ATOM 0 HA LYS A 47 3.292 3.980 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.213 6.221 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.878 5.194 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.076 6.599 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.017 5.215 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.008 6.351 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.551 7.254 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.377 9.011 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.807 8.328 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.069 8.776 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.810 7.106 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.331 7.767 8.292 1.00 0.00 H new ATOM 704 N LEU A 48 1.395 2.334 4.806 1.00 0.00 N ATOM 705 CA LEU A 48 0.552 1.166 4.580 1.00 0.00 C ATOM 706 C LEU A 48 -0.398 0.969 5.753 1.00 0.00 C ATOM 707 O LEU A 48 0.013 1.060 6.908 1.00 0.00 O ATOM 708 CB LEU A 48 1.424 -0.082 4.387 1.00 0.00 C ATOM 709 CG LEU A 48 0.687 -1.427 4.420 1.00 0.00 C ATOM 710 CD1 LEU A 48 0.376 -1.841 5.850 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.585 -1.361 3.591 1.00 0.00 C ATOM 0 H LEU A 48 1.529 2.570 5.789 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.038 1.326 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.940 0.004 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.189 -0.090 5.163 1.00 0.00 H new ATOM 0 HG LEU A 48 1.341 -2.183 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.147 -2.798 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.305 -1.937 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.254 -1.085 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.093 -2.325 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.241 -0.589 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.334 -1.122 2.558 1.00 0.00 H new ATOM 723 N GLN A 49 -1.667 0.701 5.460 1.00 0.00 N ATOM 724 CA GLN A 49 -2.656 0.496 6.513 1.00 0.00 C ATOM 725 C GLN A 49 -3.595 -0.660 6.184 1.00 0.00 C ATOM 726 O GLN A 49 -4.053 -0.800 5.050 1.00 0.00 O ATOM 727 CB GLN A 49 -3.468 1.772 6.742 1.00 0.00 C ATOM 728 CG GLN A 49 -2.617 3.005 7.002 1.00 0.00 C ATOM 729 CD GLN A 49 -2.825 4.091 5.965 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.812 4.084 5.230 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.892 5.034 5.900 1.00 0.00 N ATOM 0 H GLN A 49 -2.032 0.621 4.511 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.114 0.245 7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.096 1.953 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.136 1.619 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.853 3.402 7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.565 2.719 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.089 5.002 6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.978 5.791 5.221 1.00 0.00 H new ATOM 740 N ALA A 50 -3.885 -1.480 7.191 1.00 0.00 N ATOM 741 CA ALA A 50 -4.779 -2.619 7.022 1.00 0.00 C ATOM 742 C ALA A 50 -5.981 -2.502 7.949 1.00 0.00 C ATOM 743 O ALA A 50 -5.919 -1.846 8.984 1.00 0.00 O ATOM 744 CB ALA A 50 -4.041 -3.922 7.271 1.00 0.00 C ATOM 0 H ALA A 50 -3.512 -1.375 8.135 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.138 -2.619 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.726 -4.759 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.216 -4.014 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.650 -3.930 8.288 1.00 0.00 H new ATOM 750 N THR A 51 -7.079 -3.126 7.561 1.00 0.00 N ATOM 751 CA THR A 51 -8.303 -3.072 8.345 1.00 0.00 C ATOM 752 C THR A 51 -8.246 -3.985 9.575 1.00 0.00 C ATOM 753 O THR A 51 -8.082 -5.199 9.459 1.00 0.00 O ATOM 754 CB THR A 51 -9.483 -3.440 7.457 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.229 -4.642 6.757 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.792 -2.370 6.435 1.00 0.00 C ATOM 0 H THR A 51 -7.149 -3.678 6.706 1.00 0.00 H new ATOM 0 HA THR A 51 -8.423 -2.055 8.717 1.00 0.00 H new ATOM 0 HB THR A 51 -10.337 -3.553 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.569 -5.401 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.642 -2.682 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.034 -1.438 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.924 -2.218 5.794 1.00 0.00 H new ATOM 764 N PRO A 52 -8.376 -3.391 10.778 1.00 0.00 N ATOM 765 CA PRO A 52 -8.337 -4.103 12.051 1.00 0.00 C ATOM 766 C PRO A 52 -9.728 -4.452 12.562 1.00 0.00 C ATOM 767 O PRO A 52 -10.727 -3.930 12.068 1.00 0.00 O ATOM 768 CB PRO A 52 -7.703 -3.062 12.956 1.00 0.00 C ATOM 769 CG PRO A 52 -8.329 -1.788 12.499 1.00 0.00 C ATOM 770 CD PRO A 52 -8.564 -1.945 11.010 1.00 0.00 C ATOM 0 HA PRO A 52 -7.810 -5.055 11.991 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.914 -3.260 14.007 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.619 -3.040 12.847 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.266 -1.604 13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.677 -0.938 12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.565 -1.620 10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.859 -1.351 10.428 1.00 0.00 H new ATOM 778 N ALA A 53 -9.788 -5.321 13.564 1.00 0.00 N ATOM 779 CA ALA A 53 -11.061 -5.722 14.156 1.00 0.00 C ATOM 780 C ALA A 53 -11.867 -4.516 14.666 1.00 0.00 C ATOM 781 O ALA A 53 -12.958 -4.684 15.209 1.00 0.00 O ATOM 782 CB ALA A 53 -10.822 -6.710 15.288 1.00 0.00 C ATOM 0 H ALA A 53 -8.970 -5.762 13.985 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.650 -6.200 13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.778 -7.003 15.723 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.314 -7.593 14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.203 -6.243 16.054 1.00 0.00 H new ATOM 788 N SER A 54 -11.335 -3.303 14.485 1.00 0.00 N ATOM 789 CA SER A 54 -12.020 -2.090 14.923 1.00 0.00 C ATOM 790 C SER A 54 -13.353 -1.949 14.218 1.00 0.00 C ATOM 791 O SER A 54 -14.314 -1.405 14.762 1.00 0.00 O ATOM 792 CB SER A 54 -11.164 -0.882 14.580 1.00 0.00 C ATOM 793 OG SER A 54 -9.873 -0.985 15.156 1.00 0.00 O ATOM 0 H SER A 54 -10.433 -3.139 14.038 1.00 0.00 H new ATOM 0 HA SER A 54 -12.185 -2.152 15.999 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.075 -0.792 13.497 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.652 0.025 14.936 1.00 0.00 H new ATOM 0 HG SER A 54 -9.344 -0.195 14.917 1.00 0.00 H new ATOM 799 N SER A 55 -13.391 -2.451 13.002 1.00 0.00 N ATOM 800 CA SER A 55 -14.591 -2.406 12.187 1.00 0.00 C ATOM 801 C SER A 55 -14.812 -3.746 11.489 1.00 0.00 C ATOM 802 O SER A 55 -13.961 -4.633 11.550 1.00 0.00 O ATOM 803 CB SER A 55 -14.471 -1.280 11.166 1.00 0.00 C ATOM 804 OG SER A 55 -15.123 -0.106 11.621 1.00 0.00 O ATOM 0 H SER A 55 -12.595 -2.901 12.550 1.00 0.00 H new ATOM 0 HA SER A 55 -15.452 -2.214 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.419 -1.066 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.906 -1.597 10.218 1.00 0.00 H new ATOM 0 HG SER A 55 -15.312 0.479 10.858 1.00 0.00 H new ATOM 810 N GLU A 56 -15.958 -3.892 10.831 1.00 0.00 N ATOM 811 CA GLU A 56 -16.281 -5.133 10.130 1.00 0.00 C ATOM 812 C GLU A 56 -15.918 -5.039 8.651 1.00 0.00 C ATOM 813 O GLU A 56 -16.531 -5.694 7.808 1.00 0.00 O ATOM 814 CB GLU A 56 -17.769 -5.454 10.281 1.00 0.00 C ATOM 815 CG GLU A 56 -18.086 -6.936 10.157 1.00 0.00 C ATOM 816 CD GLU A 56 -19.152 -7.387 11.137 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.904 -7.315 12.359 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.234 -7.813 10.681 1.00 0.00 O ATOM 0 H GLU A 56 -16.676 -3.171 10.768 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.693 -5.935 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.113 -5.097 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.329 -4.906 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.418 -7.149 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.177 -7.514 10.323 1.00 0.00 H new ATOM 825 N LYS A 57 -14.924 -4.213 8.343 1.00 0.00 N ATOM 826 CA LYS A 57 -14.484 -4.022 6.971 1.00 0.00 C ATOM 827 C LYS A 57 -13.377 -5.010 6.590 1.00 0.00 C ATOM 828 O LYS A 57 -13.161 -6.013 7.270 1.00 0.00 O ATOM 829 CB LYS A 57 -14.001 -2.580 6.775 1.00 0.00 C ATOM 830 CG LYS A 57 -12.590 -2.326 7.275 1.00 0.00 C ATOM 831 CD LYS A 57 -12.584 -1.575 8.593 1.00 0.00 C ATOM 832 CE LYS A 57 -11.649 -2.220 9.605 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.963 -3.660 9.828 1.00 0.00 N ATOM 0 H LYS A 57 -14.408 -3.664 9.030 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.334 -4.212 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.049 -2.333 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.685 -1.906 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.071 -3.277 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.038 -1.755 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.279 -0.543 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.595 -1.545 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.620 -2.124 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.717 -1.685 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.290 -4.060 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.930 -3.751 10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.889 -4.175 8.927 1.00 0.00 H new ATOM 847 N MET A 58 -12.678 -4.702 5.499 1.00 0.00 N ATOM 848 CA MET A 58 -11.585 -5.540 5.011 1.00 0.00 C ATOM 849 C MET A 58 -10.917 -4.887 3.802 1.00 0.00 C ATOM 850 O MET A 58 -11.418 -4.983 2.681 1.00 0.00 O ATOM 851 CB MET A 58 -12.094 -6.937 4.637 1.00 0.00 C ATOM 852 CG MET A 58 -13.546 -6.968 4.182 1.00 0.00 C ATOM 853 SD MET A 58 -14.647 -7.681 5.419 1.00 0.00 S ATOM 854 CE MET A 58 -15.235 -9.127 4.544 1.00 0.00 C ATOM 0 H MET A 58 -12.851 -3.872 4.933 1.00 0.00 H new ATOM 0 HA MET A 58 -10.852 -5.642 5.811 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.467 -7.340 3.842 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.980 -7.596 5.498 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.872 -5.954 3.952 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.621 -7.544 3.259 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.930 -9.678 5.178 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.744 -8.818 3.631 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.390 -9.767 4.289 1.00 0.00 H new ATOM 864 N MET A 59 -9.791 -4.214 4.034 1.00 0.00 N ATOM 865 CA MET A 59 -9.073 -3.541 2.954 1.00 0.00 C ATOM 866 C MET A 59 -7.661 -3.128 3.379 1.00 0.00 C ATOM 867 O MET A 59 -7.397 -2.884 4.555 1.00 0.00 O ATOM 868 CB MET A 59 -9.866 -2.311 2.484 1.00 0.00 C ATOM 869 CG MET A 59 -9.866 -1.153 3.470 1.00 0.00 C ATOM 870 SD MET A 59 -11.484 -0.864 4.219 1.00 0.00 S ATOM 871 CE MET A 59 -11.051 0.272 5.541 1.00 0.00 C ATOM 0 H MET A 59 -9.359 -4.121 4.953 1.00 0.00 H new ATOM 0 HA MET A 59 -8.974 -4.247 2.130 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.452 -1.966 1.537 1.00 0.00 H new ATOM 0 HB3 MET A 59 -10.897 -2.609 2.292 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.138 -1.353 4.256 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.542 -0.247 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 59 -11.341 -0.158 6.500 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.975 0.447 5.533 1.00 0.00 H new ATOM 0 HE3 MET A 59 -11.574 1.217 5.394 1.00 0.00 H new ATOM 881 N LEU A 60 -6.764 -3.039 2.400 1.00 0.00 N ATOM 882 CA LEU A 60 -5.380 -2.640 2.641 1.00 0.00 C ATOM 883 C LEU A 60 -5.041 -1.416 1.789 1.00 0.00 C ATOM 884 O LEU A 60 -5.252 -1.422 0.577 1.00 0.00 O ATOM 885 CB LEU A 60 -4.426 -3.797 2.310 1.00 0.00 C ATOM 886 CG LEU A 60 -3.818 -4.510 3.523 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.122 -5.802 3.106 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.844 -3.588 4.238 1.00 0.00 C ATOM 0 H LEU A 60 -6.974 -3.240 1.422 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.262 -2.386 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.965 -4.530 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.615 -3.412 1.691 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.625 -4.769 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.699 -6.288 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.844 -6.469 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.324 -5.574 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.418 -4.105 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.045 -3.302 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.370 -2.695 4.575 1.00 0.00 H new ATOM 900 N ARG A 61 -4.526 -0.364 2.422 1.00 0.00 N ATOM 901 CA ARG A 61 -4.178 0.859 1.699 1.00 0.00 C ATOM 902 C ARG A 61 -2.689 1.167 1.807 1.00 0.00 C ATOM 903 O ARG A 61 -2.086 1.013 2.867 1.00 0.00 O ATOM 904 CB ARG A 61 -4.988 2.046 2.226 1.00 0.00 C ATOM 905 CG ARG A 61 -4.689 3.348 1.499 1.00 0.00 C ATOM 906 CD ARG A 61 -4.868 4.555 2.406 1.00 0.00 C ATOM 907 NE ARG A 61 -4.983 5.798 1.647 1.00 0.00 N ATOM 908 CZ ARG A 61 -5.508 6.920 2.136 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.962 6.960 3.383 1.00 0.00 N ATOM 910 NH2 ARG A 61 -5.578 8.004 1.376 1.00 0.00 N ATOM 0 H ARG A 61 -4.341 -0.332 3.425 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.420 0.696 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.051 1.822 2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.781 2.175 3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.667 3.326 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.347 3.442 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.760 4.420 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.021 4.624 3.089 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.641 5.807 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.910 6.129 3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.363 7.822 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.230 7.978 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.980 8.864 1.750 1.00 0.00 H new ATOM 924 N LEU A 62 -2.107 1.608 0.694 1.00 0.00 N ATOM 925 CA LEU A 62 -0.689 1.943 0.647 1.00 0.00 C ATOM 926 C LEU A 62 -0.478 3.347 0.086 1.00 0.00 C ATOM 927 O LEU A 62 -1.097 3.729 -0.907 1.00 0.00 O ATOM 928 CB LEU A 62 0.068 0.927 -0.213 1.00 0.00 C ATOM 929 CG LEU A 62 0.081 -0.507 0.323 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.330 -1.076 0.371 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.981 -1.385 -0.533 1.00 0.00 C ATOM 0 H LEU A 62 -2.599 1.741 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.303 1.913 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.373 0.920 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.098 1.265 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 62 0.477 -0.490 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.298 -2.096 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.948 -0.461 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.755 -1.079 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.979 -2.401 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.612 -1.393 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.997 -0.991 -0.516 1.00 0.00 H new ATOM 943 N ILE A 63 0.406 4.108 0.724 1.00 0.00 N ATOM 944 CA ILE A 63 0.708 5.467 0.286 1.00 0.00 C ATOM 945 C ILE A 63 2.174 5.579 -0.125 1.00 0.00 C ATOM 946 O ILE A 63 3.071 5.364 0.689 1.00 0.00 O ATOM 947 CB ILE A 63 0.393 6.492 1.396 1.00 0.00 C ATOM 948 CG1 ILE A 63 -1.115 6.681 1.521 1.00 0.00 C ATOM 949 CG2 ILE A 63 1.067 7.830 1.134 1.00 0.00 C ATOM 950 CD1 ILE A 63 -1.665 6.131 2.806 1.00 0.00 C ATOM 0 H ILE A 63 0.927 3.806 1.548 1.00 0.00 H new ATOM 0 HA ILE A 63 0.078 5.689 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 63 0.788 6.099 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.350 7.743 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.609 6.193 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.821 8.525 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.147 7.691 1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.716 8.234 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.742 6.294 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.457 5.062 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.195 6.637 3.649 1.00 0.00 H new ATOM 962 N GLY A 64 2.412 5.903 -1.393 1.00 0.00 N ATOM 963 CA GLY A 64 3.777 6.018 -1.879 1.00 0.00 C ATOM 964 C GLY A 64 4.144 7.417 -2.330 1.00 0.00 C ATOM 965 O GLY A 64 3.316 8.328 -2.305 1.00 0.00 O ATOM 0 H GLY A 64 1.690 6.087 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.462 5.708 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.917 5.328 -2.711 1.00 0.00 H new ATOM 1311 N ARG A 86 -1.425 7.115 -3.086 1.00 0.00 N ATOM 1312 CA ARG A 86 -2.307 6.492 -2.105 1.00 0.00 C ATOM 1313 C ARG A 86 -3.416 5.704 -2.793 1.00 0.00 C ATOM 1314 O ARG A 86 -4.097 6.219 -3.681 1.00 0.00 O ATOM 1315 CB ARG A 86 -2.922 7.553 -1.185 1.00 0.00 C ATOM 1316 CG ARG A 86 -1.990 8.714 -0.869 1.00 0.00 C ATOM 1317 CD ARG A 86 -2.675 9.762 -0.006 1.00 0.00 C ATOM 1318 NE ARG A 86 -3.142 9.211 1.265 1.00 0.00 N ATOM 1319 CZ ARG A 86 -3.427 9.951 2.334 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -3.297 11.272 2.290 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -3.844 9.370 3.450 1.00 0.00 N ATOM 0 HA ARG A 86 -1.709 5.804 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.827 7.943 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.224 7.079 -0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.104 8.341 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.650 9.172 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.982 10.581 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.521 10.182 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.256 8.200 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.977 11.725 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.517 11.834 3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.946 8.356 3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.062 9.937 4.269 1.00 0.00 H new ATOM 1335 N HIS A 87 -3.598 4.456 -2.375 1.00 0.00 N ATOM 1336 CA HIS A 87 -4.632 3.603 -2.951 1.00 0.00 C ATOM 1337 C HIS A 87 -5.222 2.675 -1.895 1.00 0.00 C ATOM 1338 O HIS A 87 -4.493 2.074 -1.106 1.00 0.00 O ATOM 1339 CB HIS A 87 -4.070 2.781 -4.116 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.618 2.436 -3.974 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.622 3.062 -4.692 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.997 1.522 -3.191 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.452 2.548 -4.360 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.651 1.612 -3.450 1.00 0.00 N ATOM 0 H HIS A 87 -3.045 4.013 -1.641 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.425 4.249 -3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.645 1.859 -4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.212 3.338 -5.042 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -1.766 3.807 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.472 0.848 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.505 2.843 -4.764 1.00 0.00 H new ATOM 1353 N MET A 88 -6.546 2.562 -1.889 1.00 0.00 N ATOM 1354 CA MET A 88 -7.235 1.704 -0.932 1.00 0.00 C ATOM 1355 C MET A 88 -7.659 0.397 -1.593 1.00 0.00 C ATOM 1356 O MET A 88 -8.553 0.378 -2.440 1.00 0.00 O ATOM 1357 CB MET A 88 -8.461 2.421 -0.356 1.00 0.00 C ATOM 1358 CG MET A 88 -8.976 1.811 0.942 1.00 0.00 C ATOM 1359 SD MET A 88 -10.189 2.862 1.771 1.00 0.00 S ATOM 1360 CE MET A 88 -10.282 2.093 3.391 1.00 0.00 C ATOM 0 H MET A 88 -7.163 3.053 -2.536 1.00 0.00 H new ATOM 0 HA MET A 88 -6.545 1.477 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 88 -8.210 3.467 -0.180 1.00 0.00 H new ATOM 0 HB3 MET A 88 -9.261 2.405 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.426 0.841 0.730 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.136 1.633 1.614 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.540 2.845 4.136 1.00 0.00 H new ATOM 0 HE2 MET A 88 -11.045 1.315 3.381 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.317 1.652 3.640 1.00 0.00 H new ATOM 1370 N PHE A 89 -7.013 -0.692 -1.198 1.00 0.00 N ATOM 1371 CA PHE A 89 -7.318 -2.009 -1.745 1.00 0.00 C ATOM 1372 C PHE A 89 -8.339 -2.710 -0.856 1.00 0.00 C ATOM 1373 O PHE A 89 -8.084 -2.939 0.321 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.037 -2.840 -1.841 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.720 -3.306 -3.230 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.662 -3.997 -3.973 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.479 -3.056 -3.791 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.371 -4.430 -5.251 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.182 -3.487 -5.068 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.130 -4.176 -5.798 1.00 0.00 C ATOM 0 H PHE A 89 -6.271 -0.690 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.738 -1.898 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.202 -2.247 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.129 -3.708 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.634 -4.199 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.735 -2.518 -3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.114 -4.967 -5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.211 -3.286 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.900 -4.516 -6.797 1.00 0.00 H new ATOM 1390 N SER A 90 -9.502 -3.031 -1.412 1.00 0.00 N ATOM 1391 CA SER A 90 -10.553 -3.676 -0.634 1.00 0.00 C ATOM 1392 C SER A 90 -10.866 -5.076 -1.141 1.00 0.00 C ATOM 1393 O SER A 90 -11.120 -5.278 -2.329 1.00 0.00 O ATOM 1394 CB SER A 90 -11.822 -2.826 -0.665 1.00 0.00 C ATOM 1395 OG SER A 90 -11.662 -1.640 0.093 1.00 0.00 O ATOM 0 H SER A 90 -9.740 -2.857 -2.389 1.00 0.00 H new ATOM 0 HA SER A 90 -10.189 -3.767 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.067 -2.572 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.659 -3.403 -0.271 1.00 0.00 H new ATOM 0 HG SER A 90 -12.488 -1.114 0.055 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.867 -6.038 -0.223 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.175 -7.418 -0.564 1.00 0.00 C ATOM 1403 C PHE A 91 -12.223 -7.974 0.392 1.00 0.00 C ATOM 1404 O PHE A 91 -12.554 -7.343 1.395 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.926 -8.319 -0.558 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.680 -7.730 0.047 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.185 -6.497 -0.353 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.975 -8.446 0.996 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.021 -5.993 0.194 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.812 -7.953 1.535 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.333 -6.724 1.138 1.00 0.00 C ATOM 0 H PHE A 91 -10.657 -5.884 0.763 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.568 -7.417 -1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.168 -9.235 -0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.705 -8.604 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.715 -5.925 -1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.344 -9.408 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.651 -5.028 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.272 -8.530 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.421 -6.334 1.565 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.747 -9.152 0.074 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.763 -9.784 0.907 1.00 0.00 C ATOM 1423 C ASN A 92 -13.133 -10.751 1.904 1.00 0.00 C ATOM 1424 O ASN A 92 -13.772 -11.706 2.344 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.777 -10.525 0.034 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.664 -9.580 -0.752 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.546 -8.928 -0.193 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.433 -9.500 -2.057 1.00 0.00 N ATOM 0 H ASN A 92 -12.486 -9.688 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.274 -9.000 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.247 -11.180 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.398 -11.162 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.997 -8.880 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.691 -10.059 -2.479 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.876 -10.500 2.258 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.167 -11.353 3.202 1.00 0.00 C ATOM 1437 C ASN A 93 -10.710 -10.563 4.420 1.00 0.00 C ATOM 1438 O ASN A 93 -10.284 -9.415 4.305 1.00 0.00 O ATOM 1439 CB ASN A 93 -9.963 -12.009 2.524 1.00 0.00 C ATOM 1440 CG ASN A 93 -10.316 -13.334 1.876 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -10.242 -13.481 0.656 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -10.703 -14.307 2.692 1.00 0.00 N ATOM 0 H ASN A 93 -11.330 -9.714 1.905 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.856 -12.129 3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.562 -11.333 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.175 -12.166 3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.953 -15.221 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.750 -14.141 3.697 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.799 -11.193 5.587 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.390 -10.563 6.836 1.00 0.00 C ATOM 1451 C ARG A 94 -9.116 -11.211 7.366 1.00 0.00 C ATOM 1452 O ARG A 94 -8.288 -10.554 7.997 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.506 -10.670 7.877 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.168 -10.005 9.201 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.757 -10.770 10.375 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.798 -9.961 11.591 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.925 -10.469 12.815 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.024 -11.781 12.991 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -11.954 -9.662 13.867 1.00 0.00 N ATOM 0 H ARG A 94 -11.153 -12.144 5.693 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.192 -9.509 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.412 -10.218 7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.726 -11.723 8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.085 -9.943 9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.548 -8.983 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.766 -11.099 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.165 -11.667 10.556 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.725 -8.948 11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.003 -12.407 12.186 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.121 -12.163 13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.879 -8.653 13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.051 -10.050 14.805 1.00 0.00 H new ATOM 1473 N THR A 95 -8.965 -12.504 7.097 1.00 0.00 N ATOM 1474 CA THR A 95 -7.791 -13.247 7.536 1.00 0.00 C ATOM 1475 C THR A 95 -6.624 -12.996 6.587 1.00 0.00 C ATOM 1476 O THR A 95 -5.503 -12.726 7.018 1.00 0.00 O ATOM 1477 CB THR A 95 -8.115 -14.746 7.622 1.00 0.00 C ATOM 1478 OG1 THR A 95 -7.471 -15.333 8.738 1.00 0.00 O ATOM 1479 CG2 THR A 95 -7.716 -15.543 6.395 1.00 0.00 C ATOM 0 H THR A 95 -9.643 -13.059 6.576 1.00 0.00 H new ATOM 0 HA THR A 95 -7.503 -12.902 8.529 1.00 0.00 H new ATOM 0 HB THR A 95 -9.200 -14.788 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.690 -16.287 8.778 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.980 -16.591 6.540 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.240 -15.154 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.640 -15.458 6.240 1.00 0.00 H new ATOM 1487 N VAL A 96 -6.904 -13.078 5.290 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.885 -12.851 4.272 1.00 0.00 C ATOM 1489 C VAL A 96 -5.264 -11.473 4.441 1.00 0.00 C ATOM 1490 O VAL A 96 -4.064 -11.345 4.687 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.466 -12.954 2.849 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.349 -13.018 1.819 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.382 -14.160 2.725 1.00 0.00 C ATOM 0 H VAL A 96 -7.828 -13.300 4.920 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.129 -13.625 4.402 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.058 -12.059 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.779 -13.090 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.739 -12.117 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.727 -13.892 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.780 -14.212 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.819 -15.068 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.205 -14.066 3.434 1.00 0.00 H new ATOM 1503 N MET A 97 -6.095 -10.445 4.299 1.00 0.00 N ATOM 1504 CA MET A 97 -5.647 -9.060 4.426 1.00 0.00 C ATOM 1505 C MET A 97 -4.637 -8.856 5.558 1.00 0.00 C ATOM 1506 O MET A 97 -3.556 -8.308 5.342 1.00 0.00 O ATOM 1507 CB MET A 97 -6.852 -8.151 4.654 1.00 0.00 C ATOM 1508 CG MET A 97 -7.771 -8.606 5.782 1.00 0.00 C ATOM 1509 SD MET A 97 -7.496 -7.720 7.330 1.00 0.00 S ATOM 1510 CE MET A 97 -7.031 -6.104 6.723 1.00 0.00 C ATOM 0 H MET A 97 -7.089 -10.545 4.095 1.00 0.00 H new ATOM 0 HA MET A 97 -5.141 -8.806 3.495 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.497 -7.144 4.873 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.429 -8.092 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.808 -8.471 5.473 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.626 -9.673 5.952 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.139 -5.370 7.522 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.994 -6.126 6.388 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.676 -5.829 5.888 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.006 -9.267 6.761 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.142 -9.097 7.927 1.00 0.00 C ATOM 1522 C ASP A 98 -2.842 -9.887 7.800 1.00 0.00 C ATOM 1523 O ASP A 98 -1.852 -9.572 8.461 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.882 -9.517 9.198 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.639 -8.368 9.833 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.213 -7.207 9.657 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.658 -8.628 10.507 1.00 0.00 O ATOM 0 H ASP A 98 -5.897 -9.721 6.959 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.882 -8.040 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.579 -10.320 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.166 -9.918 9.916 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.847 -10.914 6.962 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.661 -11.741 6.773 1.00 0.00 C ATOM 1534 C ASN A 99 -0.640 -11.054 5.871 1.00 0.00 C ATOM 1535 O ASN A 99 0.567 -11.216 6.051 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.052 -13.097 6.181 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.394 -14.256 6.905 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -0.191 -14.239 7.164 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -2.184 -15.271 7.235 1.00 0.00 N ATOM 0 H ASN A 99 -3.654 -11.194 6.404 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.201 -11.892 7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.135 -13.212 6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.773 -13.125 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.799 -16.079 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.176 -15.242 7.000 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.127 -10.300 4.892 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.249 -9.608 3.956 1.00 0.00 C ATOM 1548 C ILE A 100 0.177 -8.228 4.466 1.00 0.00 C ATOM 1549 O ILE A 100 1.247 -7.737 4.105 1.00 0.00 O ATOM 1550 CB ILE A 100 -0.913 -9.461 2.573 1.00 0.00 C ATOM 1551 CG1 ILE A 100 0.069 -8.857 1.567 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.171 -8.614 2.674 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.552 -8.567 0.217 1.00 0.00 C ATOM 0 H ILE A 100 -2.123 -10.153 4.726 1.00 0.00 H new ATOM 0 HA ILE A 100 0.644 -10.226 3.864 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.196 -10.452 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.475 -7.932 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.907 -9.541 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.627 -8.521 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.876 -9.089 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.914 -7.624 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.201 -8.141 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.933 -9.493 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.372 -7.859 0.338 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.652 -7.599 5.300 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.332 -6.286 5.831 1.00 0.00 C ATOM 1567 C LYS A 101 0.802 -6.375 6.838 1.00 0.00 C ATOM 1568 O LYS A 101 1.658 -5.497 6.912 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.570 -5.672 6.485 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.030 -6.389 7.750 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.389 -5.817 9.010 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.598 -4.316 9.118 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.804 -3.718 10.228 1.00 0.00 N ATOM 0 H LYS A 101 -1.543 -7.980 5.617 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.010 -5.649 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.360 -4.630 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.387 -5.673 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.114 -6.315 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.788 -7.449 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.812 -6.307 9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.321 -6.036 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.318 -3.843 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.656 -4.108 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.446 -3.400 10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.149 -4.430 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.262 -2.906 9.869 1.00 0.00 H new ATOM 1587 N MET A 102 0.790 -7.445 7.613 1.00 0.00 N ATOM 1588 CA MET A 102 1.808 -7.667 8.634 1.00 0.00 C ATOM 1589 C MET A 102 3.191 -7.844 8.013 1.00 0.00 C ATOM 1590 O MET A 102 4.202 -7.478 8.612 1.00 0.00 O ATOM 1591 CB MET A 102 1.456 -8.895 9.474 1.00 0.00 C ATOM 1592 CG MET A 102 1.433 -10.190 8.678 1.00 0.00 C ATOM 1593 SD MET A 102 1.488 -11.653 9.731 1.00 0.00 S ATOM 1594 CE MET A 102 3.050 -11.407 10.571 1.00 0.00 C ATOM 0 H MET A 102 0.084 -8.179 7.557 1.00 0.00 H new ATOM 0 HA MET A 102 1.833 -6.785 9.275 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.178 -8.989 10.285 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.479 -8.743 9.933 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.531 -10.220 8.067 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.282 -10.207 7.994 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.495 -12.375 10.802 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.724 -10.842 9.927 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.883 -10.854 11.496 1.00 0.00 H new ATOM 1604 N THR A 103 3.231 -8.417 6.815 1.00 0.00 N ATOM 1605 CA THR A 103 4.494 -8.653 6.122 1.00 0.00 C ATOM 1606 C THR A 103 4.898 -7.461 5.256 1.00 0.00 C ATOM 1607 O THR A 103 6.082 -7.148 5.135 1.00 0.00 O ATOM 1608 CB THR A 103 4.391 -9.909 5.258 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.904 -11.001 6.018 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.712 -10.327 4.650 1.00 0.00 C ATOM 0 H THR A 103 2.405 -8.727 6.303 1.00 0.00 H new ATOM 0 HA THR A 103 5.265 -8.791 6.880 1.00 0.00 H new ATOM 0 HB THR A 103 3.704 -9.650 4.452 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.924 -10.999 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.568 -11.225 4.049 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.092 -9.524 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.429 -10.533 5.445 1.00 0.00 H new ATOM 1618 N LEU A 104 3.915 -6.808 4.646 1.00 0.00 N ATOM 1619 CA LEU A 104 4.186 -5.664 3.782 1.00 0.00 C ATOM 1620 C LEU A 104 4.369 -4.381 4.596 1.00 0.00 C ATOM 1621 O LEU A 104 5.080 -3.468 4.176 1.00 0.00 O ATOM 1622 CB LEU A 104 3.063 -5.511 2.742 1.00 0.00 C ATOM 1623 CG LEU A 104 2.133 -4.303 2.915 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.677 -3.102 2.156 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.729 -4.643 2.439 1.00 0.00 C ATOM 0 H LEU A 104 2.928 -7.049 4.733 1.00 0.00 H new ATOM 0 HA LEU A 104 5.123 -5.845 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.518 -5.453 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.455 -6.416 2.760 1.00 0.00 H new ATOM 0 HG LEU A 104 2.086 -4.049 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.006 -2.253 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.665 -2.847 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.750 -3.344 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.081 -3.776 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.759 -4.920 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.339 -5.477 3.022 1.00 0.00 H new ATOM 1637 N GLN A 105 3.727 -4.316 5.758 1.00 0.00 N ATOM 1638 CA GLN A 105 3.828 -3.141 6.619 1.00 0.00 C ATOM 1639 C GLN A 105 5.213 -3.047 7.249 1.00 0.00 C ATOM 1640 O GLN A 105 5.884 -2.020 7.144 1.00 0.00 O ATOM 1641 CB GLN A 105 2.765 -3.187 7.717 1.00 0.00 C ATOM 1642 CG GLN A 105 2.741 -1.943 8.592 1.00 0.00 C ATOM 1643 CD GLN A 105 2.731 -2.271 10.073 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.377 -1.596 10.875 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.995 -3.312 10.444 1.00 0.00 N ATOM 0 H GLN A 105 3.133 -5.060 6.125 1.00 0.00 H new ATOM 0 HA GLN A 105 3.664 -2.259 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.785 -3.317 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.941 -4.060 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.612 -1.328 8.366 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.860 -1.350 8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.475 -3.844 9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.949 -3.580 11.427 1.00 0.00 H new ATOM 1654 N GLN A 106 5.633 -4.124 7.904 1.00 0.00 N ATOM 1655 CA GLN A 106 6.939 -4.166 8.555 1.00 0.00 C ATOM 1656 C GLN A 106 8.038 -3.698 7.605 1.00 0.00 C ATOM 1657 O GLN A 106 8.919 -2.929 7.990 1.00 0.00 O ATOM 1658 CB GLN A 106 7.243 -5.582 9.045 1.00 0.00 C ATOM 1659 CG GLN A 106 6.451 -5.982 10.280 1.00 0.00 C ATOM 1660 CD GLN A 106 7.295 -5.984 11.539 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.369 -4.983 12.253 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.939 -7.111 11.819 1.00 0.00 N ATOM 0 H GLN A 106 5.088 -4.981 7.999 1.00 0.00 H new ATOM 0 HA GLN A 106 6.911 -3.491 9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.030 -6.289 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.308 -5.661 9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.615 -5.295 10.409 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.027 -6.975 10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.850 -7.917 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.523 -7.171 12.653 1.00 0.00 H new ATOM 1671 N ILE A 107 7.980 -4.169 6.363 1.00 0.00 N ATOM 1672 CA ILE A 107 8.964 -3.807 5.360 1.00 0.00 C ATOM 1673 C ILE A 107 9.124 -2.295 5.251 1.00 0.00 C ATOM 1674 O ILE A 107 10.237 -1.779 5.325 1.00 0.00 O ATOM 1675 CB ILE A 107 8.592 -4.415 3.990 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.558 -5.542 3.672 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.596 -3.372 2.879 1.00 0.00 C ATOM 1678 CD1 ILE A 107 9.108 -6.428 2.531 1.00 0.00 C ATOM 0 H ILE A 107 7.256 -4.806 6.030 1.00 0.00 H new ATOM 0 HA ILE A 107 9.923 -4.218 5.675 1.00 0.00 H new ATOM 0 HB ILE A 107 7.575 -4.803 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.531 -5.116 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.694 -6.154 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.329 -3.846 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.872 -2.591 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.590 -2.933 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.849 -7.209 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.150 -6.884 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.000 -5.830 1.626 1.00 0.00 H new ATOM 1690 N ILE A 108 8.016 -1.585 5.086 1.00 0.00 N ATOM 1691 CA ILE A 108 8.073 -0.134 4.985 1.00 0.00 C ATOM 1692 C ILE A 108 8.765 0.441 6.205 1.00 0.00 C ATOM 1693 O ILE A 108 9.515 1.410 6.120 1.00 0.00 O ATOM 1694 CB ILE A 108 6.677 0.500 4.859 1.00 0.00 C ATOM 1695 CG1 ILE A 108 5.802 -0.313 3.906 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.801 1.939 4.381 1.00 0.00 C ATOM 1697 CD1 ILE A 108 4.363 0.140 3.872 1.00 0.00 C ATOM 0 H ILE A 108 7.079 -1.984 5.020 1.00 0.00 H new ATOM 0 HA ILE A 108 8.633 0.101 4.080 1.00 0.00 H new ATOM 0 HB ILE A 108 6.200 0.498 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.218 -0.249 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.837 -1.362 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.808 2.380 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.391 2.511 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.293 1.958 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.802 -0.482 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.930 0.050 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.316 1.180 3.549 1.00 0.00 H new ATOM 1709 N SER A 109 8.514 -0.190 7.338 1.00 0.00 N ATOM 1710 CA SER A 109 9.112 0.222 8.595 1.00 0.00 C ATOM 1711 C SER A 109 10.582 -0.183 8.641 1.00 0.00 C ATOM 1712 O SER A 109 11.381 0.422 9.353 1.00 0.00 O ATOM 1713 CB SER A 109 8.352 -0.402 9.763 1.00 0.00 C ATOM 1714 OG SER A 109 8.383 0.438 10.904 1.00 0.00 O ATOM 0 H SER A 109 7.894 -0.997 7.413 1.00 0.00 H new ATOM 0 HA SER A 109 9.051 1.307 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.318 -0.585 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.789 -1.370 10.009 1.00 0.00 H new ATOM 0 HG SER A 109 7.888 0.014 11.636 1.00 0.00 H new ATOM 1720 N ARG A 110 10.936 -1.204 7.862 1.00 0.00 N ATOM 1721 CA ARG A 110 12.312 -1.671 7.806 1.00 0.00 C ATOM 1722 C ARG A 110 13.100 -0.831 6.806 1.00 0.00 C ATOM 1723 O ARG A 110 14.229 -0.423 7.076 1.00 0.00 O ATOM 1724 CB ARG A 110 12.363 -3.170 7.454 1.00 0.00 C ATOM 1725 CG ARG A 110 12.704 -3.481 6.001 1.00 0.00 C ATOM 1726 CD ARG A 110 14.199 -3.377 5.743 1.00 0.00 C ATOM 1727 NE ARG A 110 14.844 -4.688 5.724 1.00 0.00 N ATOM 1728 CZ ARG A 110 16.073 -4.903 5.260 1.00 0.00 C ATOM 1729 NH1 ARG A 110 16.793 -3.898 4.778 1.00 0.00 N ATOM 1730 NH2 ARG A 110 16.584 -6.127 5.279 1.00 0.00 N ATOM 0 H ARG A 110 10.289 -1.719 7.265 1.00 0.00 H new ATOM 0 HA ARG A 110 12.772 -1.554 8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.100 -3.653 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.396 -3.615 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.360 -4.485 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.172 -2.791 5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.368 -2.876 4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.658 -2.758 6.514 1.00 0.00 H new ATOM 0 HE ARG A 110 14.322 -5.485 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 110 16.405 -2.955 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.734 -4.069 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.035 -6.903 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.526 -6.292 4.924 1.00 0.00 H new ATOM 1744 N TYR A 111 12.490 -0.566 5.652 1.00 0.00 N ATOM 1745 CA TYR A 111 13.134 0.239 4.622 1.00 0.00 C ATOM 1746 C TYR A 111 13.417 1.649 5.132 1.00 0.00 C ATOM 1747 O TYR A 111 14.530 2.154 4.997 1.00 0.00 O ATOM 1748 CB TYR A 111 12.259 0.304 3.371 1.00 0.00 C ATOM 1749 CG TYR A 111 12.570 -0.772 2.357 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.873 -1.000 1.934 1.00 0.00 C ATOM 1751 CD2 TYR A 111 11.558 -1.556 1.820 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.159 -1.982 1.005 1.00 0.00 C ATOM 1753 CE2 TYR A 111 11.836 -2.540 0.890 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.137 -2.749 0.486 1.00 0.00 C ATOM 1755 OH TYR A 111 13.418 -3.727 -0.441 1.00 0.00 O ATOM 0 H TYR A 111 11.556 -0.896 5.410 1.00 0.00 H new ATOM 0 HA TYR A 111 14.082 -0.235 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.213 0.222 3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.383 1.280 2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.675 -0.400 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.537 -1.395 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 111 15.178 -2.148 0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.038 -3.142 0.482 1.00 0.00 H new ATOM 0 HH TYR A 111 14.004 -3.361 -1.136 1.00 0.00 H new ATOM 1765 N LYS A 112 12.403 2.280 5.720 1.00 0.00 N ATOM 1766 CA LYS A 112 12.547 3.634 6.252 1.00 0.00 C ATOM 1767 C LYS A 112 13.772 3.738 7.155 1.00 0.00 C ATOM 1768 O LYS A 112 14.394 4.795 7.259 1.00 0.00 O ATOM 1769 CB LYS A 112 11.294 4.032 7.037 1.00 0.00 C ATOM 1770 CG LYS A 112 10.096 4.387 6.167 1.00 0.00 C ATOM 1771 CD LYS A 112 10.481 5.316 5.027 1.00 0.00 C ATOM 1772 CE LYS A 112 10.851 4.534 3.777 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.690 4.370 2.859 1.00 0.00 N ATOM 0 H LYS A 112 11.474 1.877 5.840 1.00 0.00 H new ATOM 0 HA LYS A 112 12.676 4.314 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.017 3.211 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.533 4.885 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.659 3.475 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.330 4.862 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.651 5.987 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.322 5.939 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.658 5.047 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.230 3.552 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.940 3.707 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.877 3.997 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.440 5.292 2.447 1.00 0.00 H new ATOM 1969 N ASP B 70 -14.141 2.102 6.190 1.00 0.00 N ATOM 1970 CA ASP B 70 -13.808 3.353 6.863 1.00 0.00 C ATOM 1971 C ASP B 70 -13.230 3.092 8.251 1.00 0.00 C ATOM 1972 O ASP B 70 -13.745 3.588 9.253 1.00 0.00 O ATOM 1973 CB ASP B 70 -15.049 4.243 6.972 1.00 0.00 C ATOM 1974 CG ASP B 70 -14.706 5.719 6.935 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -13.784 6.133 7.669 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -15.360 6.461 6.172 1.00 0.00 O ATOM 0 HA ASP B 70 -13.052 3.865 6.268 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -15.732 4.011 6.155 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -15.574 4.018 7.900 1.00 0.00 H new ATOM 1981 N ALA B 71 -12.153 2.314 8.304 1.00 0.00 N ATOM 1982 CA ALA B 71 -11.506 1.996 9.571 1.00 0.00 C ATOM 1983 C ALA B 71 -10.095 1.454 9.350 1.00 0.00 C ATOM 1984 O ALA B 71 -9.758 0.368 9.818 1.00 0.00 O ATOM 1985 CB ALA B 71 -12.348 1.001 10.361 1.00 0.00 C ATOM 0 H ALA B 71 -11.711 1.894 7.486 1.00 0.00 H new ATOM 0 HA ALA B 71 -11.421 2.916 10.149 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -11.852 0.773 11.305 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -13.329 1.433 10.561 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -12.466 0.085 9.783 1.00 0.00 H new ATOM 1991 N THR B 72 -9.275 2.215 8.628 1.00 0.00 N ATOM 1992 CA THR B 72 -7.902 1.796 8.348 1.00 0.00 C ATOM 1993 C THR B 72 -6.883 2.892 8.653 1.00 0.00 C ATOM 1994 O THR B 72 -5.689 2.615 8.766 1.00 0.00 O ATOM 1995 CB THR B 72 -7.758 1.369 6.895 1.00 0.00 C ATOM 1996 OG1 THR B 72 -8.772 1.951 6.102 1.00 0.00 O ATOM 1997 CG2 THR B 72 -7.818 -0.126 6.703 1.00 0.00 C ATOM 0 H THR B 72 -9.534 3.117 8.229 1.00 0.00 H new ATOM 0 HA THR B 72 -7.696 0.952 9.006 1.00 0.00 H new ATOM 0 HB THR B 72 -6.771 1.714 6.586 1.00 0.00 H new ATOM 0 HG1 THR B 72 -8.486 2.841 5.807 1.00 0.00 H new ATOM 0 HG21 THR B 72 -7.709 -0.362 5.644 1.00 0.00 H new ATOM 0 HG22 THR B 72 -7.012 -0.598 7.265 1.00 0.00 H new ATOM 0 HG23 THR B 72 -8.777 -0.501 7.061 1.00 0.00 H new ATOM 2005 N TRP B 73 -7.338 4.133 8.775 1.00 0.00 N ATOM 2006 CA TRP B 73 -6.426 5.238 9.055 1.00 0.00 C ATOM 2007 C TRP B 73 -6.320 5.504 10.556 1.00 0.00 C ATOM 2008 O TRP B 73 -6.057 6.632 10.973 1.00 0.00 O ATOM 2009 CB TRP B 73 -6.866 6.520 8.337 1.00 0.00 C ATOM 2010 CG TRP B 73 -7.705 6.295 7.111 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -8.756 7.056 6.701 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -7.565 5.252 6.140 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -9.281 6.554 5.537 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -8.567 5.445 5.173 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -6.694 4.176 5.994 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -8.717 4.599 4.078 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -6.843 3.335 4.909 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -7.846 3.549 3.964 1.00 0.00 C ATOM 0 H TRP B 73 -8.319 4.399 8.686 1.00 0.00 H new ATOM 0 HA TRP B 73 -5.446 4.944 8.680 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -7.428 7.138 9.037 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -5.978 7.085 8.055 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -9.124 7.930 7.218 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -10.074 6.944 5.027 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -5.913 4.001 6.719 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -9.492 4.765 3.345 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -6.172 2.497 4.790 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -7.937 2.874 3.126 1.00 0.00 H new ATOM 2029 N ASP B 74 -6.524 4.468 11.367 1.00 0.00 N ATOM 2030 CA ASP B 74 -6.444 4.620 12.818 1.00 0.00 C ATOM 2031 C ASP B 74 -5.775 3.417 13.488 1.00 0.00 C ATOM 2032 O ASP B 74 -5.719 3.339 14.716 1.00 0.00 O ATOM 2033 CB ASP B 74 -7.840 4.832 13.405 1.00 0.00 C ATOM 2034 CG ASP B 74 -7.822 5.722 14.632 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -7.663 5.188 15.750 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -7.966 6.953 14.476 1.00 0.00 O ATOM 0 H ASP B 74 -6.744 3.524 11.049 1.00 0.00 H new ATOM 0 HA ASP B 74 -5.826 5.495 13.018 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -8.486 5.275 12.647 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -8.272 3.866 13.667 1.00 0.00 H new ATOM 2041 N LEU B 75 -5.253 2.493 12.687 1.00 0.00 N ATOM 2042 CA LEU B 75 -4.573 1.315 13.223 1.00 0.00 C ATOM 2043 C LEU B 75 -3.155 1.221 12.689 1.00 0.00 C ATOM 2044 O LEU B 75 -2.369 0.384 13.133 1.00 0.00 O ATOM 2045 CB LEU B 75 -5.332 0.023 12.895 1.00 0.00 C ATOM 2046 CG LEU B 75 -5.841 -0.113 11.456 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -6.930 0.905 11.186 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -4.711 0.047 10.450 1.00 0.00 C ATOM 0 H LEU B 75 -5.287 2.535 11.668 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.543 1.429 14.307 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -4.678 -0.823 13.109 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -6.185 -0.055 13.569 1.00 0.00 H new ATOM 0 HG LEU B 75 -6.253 -1.115 11.341 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -7.283 0.797 10.160 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -7.760 0.741 11.874 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -6.532 1.910 11.329 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.106 -0.055 9.439 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.258 1.032 10.565 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -3.957 -0.721 10.624 1.00 0.00 H new